Journal
JOURNAL OF MOLECULAR STRUCTURE
Volume 1160, Issue -, Pages 20-25Publisher
ELSEVIER
DOI: 10.1016/j.molstruc.2018.01.044
Keywords
Flexible crystal; Stimuli responsive material; Cocrystal; Pharmaceutical
Categories
Funding
- DST-SERB-ECR [ECR/2016/000331]
- NIT Meghalaya start up grant
Ask authors/readers for more resources
Recent findings of plastically bendable molecular crystals led to the realization that design based strategies are required for these materials to be useful in real life application. We have coincidentally discovered plastically bendable crystals of a drug molecule probenecid. Based on the structural features of its crystals at room temperature, we hypothesized that introduction of a molecular spacer between two hydrogen bonded molecules of probenecid, by replacing the carboxylic acid homodimer with similar dimeric hydrogen bonding synthon, would not disturb the layered molecular packing of probenecid. As a consequence, the new multi-component crystal would retain flexibility similar to the original probenecid crystals. Herein we have attempted to prove this hypothesis and we were successful in the case of probenecid: 4,4'-bipyridine cocrystal. As designed, in the crystal structure 4,4'-bypyridine molecule acted as spacer and connected two probenecid molecules resulting in the retention of the slip planes which are necessary for a molecular crystal to be plastically bendable. DFT computational calculations were carried out to account for the hydrogen bonding synthons between probenecid and the coformers under study. (C) 2018 Elsevier B.V. All rights reserved.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available